Geometry & MOs

Info

ID:	314899
PubChem CID:	126623944
Reduced:	BrSN3O6C15H18 (1)
Stoich.:	ABC3D6E15F18 (1)
Weight, g/mol:	273.01129
ΔH_f, kcal/mol:	-218.1
Dipole, Da:	4.77
IP(EA), eV:	-9.44(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-amino-N-(6-bromopyridin-2-yl)-3-hydroxybutanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1)Br)NC(=O)C2CC3(CC3N2C(=O)O)COS(=O)(=O)C

DOS

IR

Vibrations